Compound Detail
CHEMBL4783765
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O=C(c1ccccc1)N(c1ccccc1)C1(C(=O)NCCc2cccc(F)c2)CCN(CCc2ccccc2)CC1
Basic Information
| ChEMBL ID | CHEMBL4783765 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRXWCRUMXXSNGI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
549.7
MW (Da)
5.91
ALogP
3
HBA
1
HBD
52.6
PSA (Ų)
0.27
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid receptors; mu & delta CHEMBL2095149 | EC50 | 7.14 | 7.14 | 72.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 7.07 | 7.07 | 85.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid receptors; mu & delta | EC50 | = | 72.0 | nM | 7.14 | Agonist activity at EA-fragment beta-arrestin-tagged human MOR/DOR expressed in ... | 33170687 |
| Mu-type opioid receptor | EC50 | = | 85.0 | nM | 7.07 | Agonist activity at EA-fragment beta-arrestin-tagged human MOR expressed in huma... | 33170687 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33170687 | 10.1021/acs.jmedchem.0c00901 | Delta-type opioid receptor | 4 |
| 33170687 | 10.1021/acs.jmedchem.0c00901 | Mu-type opioid receptor | 3 |
| 33170687 | 10.1021/acs.jmedchem.0c00901 | Opioid receptors; mu & delta | 3 |
Data from ChEMBL 36 via Core Engine